SCHEMBL17486884

SCHEMBL17486884

C=C1N(C)C(=O)c2c(ncn2CCCn2cnc3c2c(=O)n(C)c(=O)n3C)N1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 11/20 0.58
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ ADORA1 P30542 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR6 P50406 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19499803 0.98 ADORA2B (0.60) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL19499801 0.98 ADORA2B (0.60) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL17486881 0.98 ADORA2B (0.60) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL19499799 0.90 ADORA1 (0.62) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL19499802 0.89 ADORA1 (0.61) ADORA2BLMNAMAPTRXFP1ADORA1
SCHEMBL17486888 0.87 ADORA2B (0.51) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL19677779 0.87 ADORA2B (0.49) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL19499800 0.86 LMNA (0.63) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16120979 0.81 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16120982 0.80 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 — — US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 — — US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 — — US disclosed
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